5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide

C16H18N2O4S — CID 1332096

IUPAC5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-13-7-5-12(6-8-13)18-23(20,21)14-9-4-11(2)15(10-14)16(17)19/h4-10,18H,3H2,1-2H3,(H2,17,19)
InChIKeyPJEJRCVIMHBDHA-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.29
Rot. Bonds6

About 5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide

5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 1332096) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide
PubChem CID1332096
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1
InChIInChI=1S/C16H18N2O4S/c1-3-22-13-7-5-12(6-8-13)18-23(20,21)14-9-4-11(2)15(10-14)16(17)19/h4-10,18H,3H2,1-2H3,(H2,17,19)
InChIKeyPJEJRCVIMHBDHA-UHFFFAOYSA-N
XLogP2.29
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide (CID 1332096) is 5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is PJEJRCVIMHBDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-22-13-7-5-12(6-8-13)18-23(20,21)14-9-4-11(2)15(10-14)16(17)19/h4-10,18H,3H2,1-2H3,(H2,17,19).
What are the key properties of 5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide?
5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 1332096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).